N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide

C23H23NO2S — CID 11954518

IUPACN-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-19-14-16-22(17-15-19)27(25,26)24-18-8-13-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-17,24H,8,18H2,1H3
InChIKeyBEJIAXGPIJIYOQ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.80
Rot. Bonds7

About N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide

N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide (PubChem CID 11954518) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide
PubChem CID11954518
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-19-14-16-22(17-15-19)27(25,26)24-18-8-13-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-17,24H,8,18H2,1H3
InChIKeyBEJIAXGPIJIYOQ-UHFFFAOYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide (CID 11954518) is N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide?
The InChIKey is BEJIAXGPIJIYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-19-14-16-22(17-15-19)27(25,26)24-18-8-13-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-17,24H,8,18H2,1H3.
What are the key properties of N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide?
N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diphenylbut-3-enyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11954518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).